4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O)C

InChI

InChI=1S/C21H22N2O5S3/c1-21(2)19(20(24)25)23(11-12-29-21)31(26,27)15-9-7-14(8-10-15)28-13-18-22-16-5-3-4-6-17(16)30-18/h3-10,19H,11-13H2,1-2H3,(H,24,25)